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1-(4-Methylhexanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID Hbcce1HXovx
InChI InChI=1S/C12H18O3/c1-3-8(2)4-5-10(13)12-6-9(12)7-15-11(12)14/h8-9H,3-7H2,1-2H3
InChIKey LHQPTFOUOKDOPQ-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31j6VZHGSDi
Name 1-(4-Methylhexanoyl)-3-oxabicyclo[3.1.0]hexan-2-one
Alternate Name(s) Salinilactone H
Appearance Yellow liquid
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Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-3-8(2)4-5-10(13)12-6-9(12)7-15-11(12)14/h8-9H,3-7H2,1-2H3
InChIKey LHQPTFOUOKDOPQ-UHFFFAOYSA-N
Instrument Name HP 6890-5973 or Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/cbic.201900764
Molecular Weight 210.273 g/mol
SMILES C12(C(OCC1C2)=O)C(CCC(CC)C)=O
SPLASH splash10-0f6x-4900000000-28a1d7f3ed57f935d930
Sample Comments mixture of diastereomers
Source of Spectrum CBC-21-1630-1h
Wiley ID 1855977